findBandsFIA: Detect band in a FIA acquisition

Description Usage Arguments Value Examples

View source: R/cWrapper.R

Description

Detect bands of points with similar mass in conscutive scans. Points may be moved if a better candidates is found.

Usage

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findBandsFIA(xraw, firstScan = 1, lastScan = length(xraw@scantime),
  ppm = 2, sizeMin = NULL, dmz = 5e-04, beginning = NULL, end = NULL,
  nIso = 3, fracMin = 0.6)

Arguments

xraw

An xcmsRaw object as returned by xcmsRaw.

firstScan

The first scan to be considered, 1 for general use.

lastScan

The last scan to be considered.

ppm

The mass deviation in ppm for point in consecutives scans.

sizeMin

The minimum size of a band.

dmz

The minimum mass tolerance,useful for small masses

beginning

The scan of the injection. May be determined using determiningInjectionZone.

end

The end of injection, may be estimated using determiningInjectionZone.

nIso

The minimum number of consecutive points for a signal to be detected.

fracMin

The minimum fraction of points necessary in beginning:end for a signal to be detected. contaminated by solvent.

Value

A vector contaning the inject peak

Examples

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#Getting the path of a file.
if(require(plasFIA)){
  path_raw<-list.files(system.file(package="plasFIA","mzML"),full.names=TRUE)[2]

  #Opening the file with xcms
  xraw<-xcmsRaw(path_raw)

  #Getting the injection scan
  gp<-determiningInjectionZone(xraw)

  #performing band detection.
  tbands<-findBandsFIA(xraw,ppm = 2,sizeMin = gp[3]-gp[1],beginning=gp[1],end=gp[2])
  head(tbands)
}

adelabriere/proFIA documentation built on July 12, 2019, 5:46 a.m.